SCHEMBL16909129

SCHEMBL16909129

COCCOCCOCC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)NCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.48
▸ CTSS P25774 3/20 0.44
▸ CTSK P43235 3/20 0.44
▸ CAPN1 P07384 1/20 0.44
▸ ITGB3 P05106 7/20 0.42
▸ ITGA2B P08514 7/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16909223 1.00 GLP1R (0.50) GLP1RSIRT5CTSSCTSKCAPN1
SCHEMBL18798879 0.92 GLP1R (0.46) GLP1RSIRT5CTSSCTSKCAPN1
SCHEMBL16924990 0.92 GLP1R (0.46) GLP1RSIRT5CTSSCTSKCAPN1
SCHEMBL16908998 0.88 GLP1R (0.48) GLP1RSIRT5CTSSCTSKCAPN1
SCHEMBL16909068 0.88 GLP1R (0.48) GLP1RSIRT5CTSSCTSKCAPN1
SCHEMBL20975589 0.86 GLP1R (0.44) GLP1RSIRT5CTSSCTSKCAPN1
SCHEMBL18246147 0.86 GLP1R (0.44) GLP1RSIRT5CTSSCTSKCAPN1
SCHEMBL16921333 0.86 GLP1R (0.39) GLP1RSIRT5CTSSCTSKCAPN1
SCHEMBL16924988 0.86 TDP1 (0.42) GLP1RCTSSCTSKCAPN1
SCHEMBL18798881 0.86 TDP1 (0.42) GLP1RCTSSCTSKCAPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 — — US disclosed
US-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs METHYLGENE INC (CA) 2015-07-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs HDAC5, HDAC1, HDAC3 GLP1R 4423/4885SIRT5 51/4885CTSS 202/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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